Benchmark ab initio characterization of the multi-channel Cl + CH3X [X = F, Cl, Br, I] reactive potential energy surfaces
We determine benchmark geometries and relative energies for the stationary points of the Cl + CH3X [X = F, Cl, Br, I] reactions. We consider four possible reaction pathways: hydrogen...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2024
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| Sorozat: | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
26 No. 25 |
| Tárgyszavak: | |
| doi: | 10.1039/D4CP01578A |
| mtmt: | 34916605 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/33856 |
| Tartalmi kivonat: | We determine benchmark geometries and relative energies for the stationary points of the Cl + CH3X [X = F, Cl, Br, I] reactions. We consider four possible reaction pathways: hydrogen... |
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| Terjedelem/Fizikai jellemzők: | 17695-17706 |
| ISSN: | 1463-9076 |